SCHEMBL694832

SCHEMBL694832

Cc1[c]sc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
MCL1 Q07820 2/20 0.37
BCKDK O14874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
NR4A2 P43354 1/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ROCK1 Q13464 1/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL142461 0.86 CYP2A6 (0.48) CYP2A6CYP3A4LMNAGAAKDM4E
SCHEMBL5541424 0.81 BCL2L1 (0.36) CYP2A6MCL1SMN1; SMN2TP53CYP3A4
SCHEMBL3920141 0.78 BCKDK (0.39) CYP2A6MCL1BCKDKRXFP1SMN1; SMN2
SCHEMBL692940 0.78 ALDH1A1 (0.39) BCKDKPOLBSMN1; SMN2LMNAMAPT
SCHEMBL146620 0.73 TNKS2 (0.39) LMNAMAPTKMT2AMEN1GAA
SCHEMBL66184 0.71 GPR3 (0.40) CYP2A6SMN1; SMN2TP53LMNAMAPT
SCHEMBL5539098 0.71 CYP2A6 (0.37) CYP2A6MCL1BCKDKRXFP1POLB
SCHEMBL3711522 0.71 KDM4E (0.41) SMN1; SMN2KMT2AGAAALDH1A1KDM4E
SCHEMBL5544029 0.71
SCHEMBL693157 0.71 BCKDK (0.34) CYP2A6MCL1BCKDKRXFP1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US claimed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 WO disclosed
US-4829075-A ANTIPROTOZOA, BACTERICIDES, YEASTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-09 US disclosed
EP-0237916-A2 1,1-Disubstituted cyclopropane derivatives, processes for their preparation and their use as antimycotics or as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP2A6 1119/4885MCL1 3401/4885BCKDK 1979/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP2A6 1134/4885MCL1 2183/4885BCKDK 742/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP CYP2A6 3650/4885MCL1 1779/4885BCKDK 844/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP2A6 1134/4885MCL1 2183/4885BCKDK 742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.